data_3NQT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3NQT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3NQT
_pdbx_vrpt_summary.PDB_deposition_date         2010-06-29
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-09-06
_pdbx_vrpt_summary.report_creation_date        2023-08-30:08:25
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      Thermonuclease  
2  non-polymer  "THYMIDINE-3',5'-DIPHOSPHATE"  
3  non-polymer  "CALCIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.9  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   44.75  141614     ?     ?  
 2  2  1   39.26    6847  1.90  1.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6760  1.90  1.90  
 5  1  3   16.34  138945     ?     ?  
 6  2  3    7.69    6760  1.90  1.90  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    6082  1.90  1.90  
 9  1  5   46.99  130704     ?     ?  
10  2  5   34.81    6207  1.90  1.90  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   16.76  
4  6  3  A  1  1  A    7.94  
5  7  4  A  1  1  A  100.00  
6  8  4  A  1  1  A  100.00  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.68
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.62
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1063
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1426
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       6.60
_pdbx_vrpt_summary_geometry.clashscore                     6.51
_pdbx_vrpt_summary_geometry.num_H_reduce                   1085
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1063
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.62
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1426
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.68
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 205.472
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            40.766
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         27.633
_pdbx_vrpt_summary_diffraction.I_over_sigma              7.00(1.89A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        11257
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.196
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.328
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.500
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.332
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.955
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               30.91
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[27.404,29.221,26.553,0.000,-0.508,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.096
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.55% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.32
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1119
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.94
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        30.91
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    7  LEU  A    7  .  ?        ?     ?     ?     ?  
  2  1  1  A    8  HIS  A    8  .  ?        ?     ?     ?     ?  
  3  1  1  A    9  LYS  A    9  .  ?        ?     ?     ?     ?  
  4  1  1  A   10  GLU  A   10  .  ?        ?     ?     ?     ?  
  5  1  1  A   11  PRO  A   11  .  ?        ?     ?     ?     ?  
  6  1  1  A   12  ALA  A   12  .  ?        ?     ?     ?     ?  
  7  1  1  A   13  THR  A   13  .  ?        ?     ?     ?     ?  
  8  1  1  A   14  LEU  A   14  .  ?        ?     ?     ?     ?  
  9  1  1  A   15  ILE  A   15  .  ?        2     ?     ?     ?  
 10  1  1  A   16  LYS  A   16  .  ?        ?     ?     ?     ?  
 11  1  1  A   17  ALA  A   17  .  ?        1     ?     ?     ?  
 12  1  1  A   18  ILE  A   18  .  ?        1     ?     ?     ?  
 13  1  1  A   19  ASP  A   19  .  ?        ?     ?     ?     ?  
 14  1  1  A   20  GLY  A   20  .  ?        ?     ?     ?     ?  
 15  1  1  A   21  ASP  A   21  .  ?        1     ?     ?     ?  
 16  1  1  A   22  THR  A   22  A  ?        ?     ?     ?     ?  
 17  1  1  A   22  THR  A   22  B  ?        2     ?     ?     ?  
 18  1  1  A   23  VAL  A   23  .  ?        ?     ?     ?     ?  
 19  1  1  A   24  LYS  A   24  .  ?        ?     ?     ?     ?  
 20  1  1  A   25  LEU  A   25  .  ?        ?     ?     ?     ?  
 21  1  1  A   26  MET  A   26  .  ?        2     ?     ?     ?  
 22  1  1  A   27  TYR  A   27  .  ?        ?     ?     ?     ?  
 23  1  1  A   28  LYS  A   28  .  ?        ?     ?     ?     ?  
 24  1  1  A   29  GLY  A   29  .  ?        ?     ?     ?     ?  
 25  1  1  A   30  GLN  A   30  .  ?        ?     ?     ?     ?  
 26  1  1  A   31  PRO  A   31  .  ?        ?     ?     ?     ?  
 27  1  1  A   32  MET  A   32  .  ?        1     ?     ?     ?  
 28  1  1  A   33  THR  A   33  .  ?        1     ?     ?     ?  
 29  1  1  A   34  PHE  A   34  .  ?        1     ?     ?     ?  
 30  1  1  A   35  ARG  A   35  .  ?        ?     ?     ?     ?  
 31  1  1  A   36  LEU  A   36  .  ?        1     ?     ?     ?  
 32  1  1  A   37  LEU  A   37  .  ?        ?     ?     ?     ?  
 33  1  1  A   38  LEU  A   38  .  ?        ?     ?     ?     ?  
 34  1  1  A   39  VAL  A   39  .  ?        ?     ?     ?     ?  
 35  1  1  A   40  ASP  A   40  .  ?        ?     ?     ?     ?  
 36  1  1  A   41  THR  A   41  .  ?        ?     ?     ?     ?  
 37  1  1  A   42  PRO  A   42  .  ?        ?     ?     ?     ?  
 38  1  1  A   43  GLU  A   43  .  ?        ?     ?     ?     ?  
 39  1  1  A   44  PHE  A   50  .  ?        ?     ?     ?     ?  
 40  1  1  A   45  ASN  A   51  .  ?        ?     ?     ?     ?  
 41  1  1  A   46  GLU  A   52  .  ?        ?     ?     ?     ?  
 42  1  1  A   47  LYS  A   53  .  ?        ?     ?     ?     ?  
 43  1  1  A   48  TYR  A   54  .  ?        ?     ?     ?     ?  
 44  1  1  A   49  GLY  A   55  .  ?        ?     ?     ?     ?  
 45  1  1  A   50  PRO  A   56  .  ?        ?     ?     ?     ?  
 46  1  1  A   51  GLU  A   57  .  ?        ?     ?     ?     ?  
 47  1  1  A   52  ALA  A   58  .  ?        ?     ?     ?     ?  
 48  1  1  A   53  SER  A   59  .  ?        ?     ?     ?     ?  
 49  1  1  A   54  ALA  A   60  .  ?        ?     ?     ?     ?  
 50  1  1  A   55  PHE  A   61  .  ?        ?     ?     ?     ?  
 51  1  1  A   56  THR  A   62  .  ?        ?     ?     ?     ?  
 52  1  1  A   57  LYS  A   63  .  ?        ?     ?     ?     ?  
 53  1  1  A   58  LYS  A   64  .  ?        ?     ?     ?     ?  
 54  1  1  A   59  MET  A   65  .  ?        ?     ?     ?     ?  
 55  1  1  A   60  ALA  A   66  .  ?        ?     ?     ?     ?  
 56  1  1  A   61  GLU  A   67  .  ?        ?     ?     ?     ?  
 57  1  1  A   62  ASN  A   68  .  ?        ?     ?     ?     ?  
 58  1  1  A   63  ALA  A   69  .  ?        1     ?     ?     ?  
 59  1  1  A   64  LYS  A   70  .  ?        ?     ?     ?     ?  
 60  1  1  A   65  LYS  A   71  .  ?        ?     ?     ?     ?  
 61  1  1  A   66  ILE  A   72  .  ?        ?     ?     ?     ?  
 62  1  1  A   67  GLU  A   73  .  ?        ?     ?     ?     ?  
 63  1  1  A   68  VAL  A   74  A  ?        1     ?     ?     ?  
 64  1  1  A   68  VAL  A   74  B  ?        1     ?     ?     ?  
 65  1  1  A   69  GLU  A   75  .  ?        ?     ?     ?     ?  
 66  1  1  A   70  PHE  A   76  .  ?        ?     ?     ?     ?  
 67  1  1  A   71  ASP  A   77  .  ?        ?     ?     ?     ?  
 68  1  1  A   72  LYS  A   78  .  ?        ?     ?     ?     ?  
 69  1  1  A   73  GLY  A   79  .  ?        ?     ?     ?     ?  
 70  1  1  A   74  GLN  A   80  .  ?        ?     ?     ?     ?  
 71  1  1  A   75  ARG  A   81  .  ?        ?     ?     ?     ?  
 72  1  1  A   76  THR  A   82  .  ?        ?     ?     ?     ?  
 73  1  1  A   77  ASP  A   83  .  ?        ?     ?     ?     ?  
 74  1  1  A   78  LYS  A   84  .  ?        ?     ?     ?     ?  
 75  1  1  A   79  TYR  A   85  .  ?        ?     ?     ?     ?  
 76  1  1  A   80  GLY  A   86  .  ?        ?     ?     ?     ?  
 77  1  1  A   81  ARG  A   87  .  ?        ?     ?     ?     ?  
 78  1  1  A   82  GLY  A   88  .  ?        ?     ?     ?     ?  
 79  1  1  A   83  LEU  A   89  .  ?        ?     ?     ?     ?  
 80  1  1  A   84  ALA  A   90  .  ?        ?     ?     ?     ?  
 81  1  1  A   85  TYR  A   91  .  ?        ?     ?     ?     ?  
 82  1  1  A   86  ILE  A   92  .  ?        2     ?     ?     ?  
 83  1  1  A   87  TYR  A   93  .  ?        ?     ?     ?     ?  
 84  1  1  A   88  ALA  A   94  .  ?        1     ?     ?     ?  
 85  1  1  A   89  ASP  A   95  .  ?        ?     ?     ?     ?  
 86  1  1  A   90  GLY  A   96  .  ?        ?     ?     ?     ?  
 87  1  1  A   91  LYS  A   97  .  ?        ?     ?     ?     ?  
 88  1  1  A   92  MET  A   98  .  ?        ?     ?     ?     ?  
 89  1  1  A   93  VAL  A   99  .  ?        ?     ?     ?     ?  
 90  1  1  A   94  ASN  A  100  .  ?        ?     ?     ?     ?  
 91  1  1  A   95  GLU  A  101  .  ?        1     ?     ?     ?  
 92  1  1  A   96  ALA  A  102  .  ?        ?     ?     ?     ?  
 93  1  1  A   97  LEU  A  103  .  ?        ?     ?     ?     ?  
 94  1  1  A   98  VAL  A  104  .  ?        ?     ?     ?     ?  
 95  1  1  A   99  ARG  A  105  .  ?        ?     ?     ?     ?  
 96  1  1  A  100  GLN  A  106  .  ?        1     ?     ?     ?  
 97  1  1  A  101  GLY  A  107  .  ?        ?     ?     ?     ?  
 98  1  1  A  102  LEU  A  108  .  ?        ?     ?     ?     ?  
 99  1  1  A  103  ALA  A  109  .  ?        ?     ?     ?     ?  
100  1  1  A  104  LYS  A  110  .  ?        ?     ?     ?     ?  
101  1  1  A  105  VAL  A  111  .  ?        ?     ?     ?     ?  
102  1  1  A  106  ALA  A  112  .  ?        ?     ?     ?     ?  
103  1  1  A  107  TYR  A  113  .  ?        ?     ?     ?     ?  
104  1  1  A  108  VAL  A  114  .  ?        ?     ?     ?     ?  
105  1  1  A  109  TYR  A  115  .  ?        ?     ?     ?     ?  
106  1  1  A  110  LYS  A  116  .  ?        ?     ?     ?     ?  
107  1  1  A  111  GLY  A  117  .  ?        ?     ?     ?     ?  
108  1  1  A  112  ASN  A  118  .  ?        ?     ?     ?     ?  
109  1  1  A  113  ASN  A  119  .  ?        4     ?     ?     ?  
110  1  1  A  114  THR  A  120  .  ?        ?     ?     ?     ?  
111  1  1  A  115  HIS  A  121  .  ?        ?     ?     ?     ?  
112  1  1  A  116  GLU  A  122  .  ?        ?     ?     ?     ?  
113  1  1  A  117  GLN  A  123  .  ?        ?     ?     ?     ?  
114  1  1  A  118  LEU  A  124  .  ?        ?     ?     ?     ?  
115  1  1  A  119  LEU  A  125  .  ?        1     ?     ?     ?  
116  1  1  A  120  ARG  A  126  .  ?        ?     ?     ?     ?  
117  1  1  A  121  LYS  A  127  .  ?        ?     ?     ?     ?  
118  1  1  A  122  ALA  A  128  .  ?        ?     ?     ?     ?  
119  1  1  A  123  GLU  A  129  .  ?        ?     ?     ?     ?  
120  1  1  A  124  ALA  A  130  .  ?        ?     ?     ?     ?  
121  1  1  A  125  GLN  A  131  .  ?        ?     ?     ?     ?  
122  1  1  A  126  ALA  A  132  .  ?        ?     ?     ?     ?  
123  1  1  A  127  LYS  A  133  .  ?        ?     ?     ?     ?  
124  1  1  A  128  LYS  A  134  .  ?        ?     ?     ?     ?  
125  1  1  A  129  GLU  A  135  .  ?        ?     ?     ?     ?  
126  1  1  A  130  LYS  A  136  .  ?        ?     ?     ?     ?  
127  1  1  A  131  LEU  A  137  .  ?        ?     ?     ?     ?  
128  1  1  A  132  ASN  A  138  .  ?        ?     ?     ?     ?  
129  1  1  A  133  ILE  A  139  .  ?        ?     ?     ?     ?  
130  1  1  A  134  TRP  A  140  .  ?        ?     ?     ?     ?  
131  1  1  A  135  SER  A  141  .  ?        ?     ?     ?     ?  
132  1  2  B    .  THP  A  150  .  ?        ?     2    10     1  
133  1  3  C    .  CA   A  151  .  ?        ?     ?     ?     ?  
134  1  4  D    .  HOH  A  152  .  ?        1     ?     ?     ?  
135  1  4  D    .  HOH  A  153  .  ?        ?     ?     ?     ?  
136  1  4  D    .  HOH  A  154  .  ?        ?     ?     ?     ?  
137  1  4  D    .  HOH  A  155  .  ?        ?     ?     ?     ?  
138  1  4  D    .  HOH  A  156  .  ?        ?     ?     ?     ?  
139  1  4  D    .  HOH  A  157  .  ?        ?     ?     ?     ?  
140  1  4  D    .  HOH  A  158  .  ?        ?     ?     ?     ?  
141  1  4  D    .  HOH  A  159  .  ?        ?     ?     ?     ?  
142  1  4  D    .  HOH  A  160  .  ?        ?     ?     ?     ?  
143  1  4  D    .  HOH  A  161  .  ?        ?     ?     ?     ?  
144  1  4  D    .  HOH  A  162  .  ?        ?     ?     ?     ?  
145  1  4  D    .  HOH  A  163  .  ?        ?     ?     ?     ?  
146  1  4  D    .  HOH  A  164  .  ?        ?     ?     ?     ?  
147  1  4  D    .  HOH  A  165  .  ?        ?     ?     ?     ?  
148  1  4  D    .  HOH  A  166  .  ?        ?     ?     ?     ?  
149  1  4  D    .  HOH  A  167  .  ?        ?     ?     ?     ?  
150  1  4  D    .  HOH  A  168  .  ?        ?     ?     ?     ?  
151  1  4  D    .  HOH  A  169  .  ?        ?     ?     ?     ?  
152  1  4  D    .  HOH  A  170  .  ?        ?     ?     ?     ?  
153  1  4  D    .  HOH  A  171  .  ?        ?     ?     ?     ?  
154  1  4  D    .  HOH  A  172  .  ?        ?     ?     ?     ?  
155  1  4  D    .  HOH  A  173  .  ?        1     ?     ?     ?  
156  1  4  D    .  HOH  A  174  .  ?        ?     ?     ?     ?  
157  1  4  D    .  HOH  A  175  .  ?        ?     ?     ?     ?  
158  1  4  D    .  HOH  A  176  .  ?        ?     ?     ?     ?  
159  1  4  D    .  HOH  A  177  .  ?        ?     ?     ?     ?  
160  1  4  D    .  HOH  A  178  .  ?        ?     ?     ?     ?  
161  1  4  D    .  HOH  A  179  .  ?        ?     ?     ?     ?  
162  1  4  D    .  HOH  A  180  .  ?        ?     ?     ?     ?  
163  1  4  D    .  HOH  A  181  .  ?        ?     ?     ?     ?  
164  1  4  D    .  HOH  A  182  .  ?        ?     ?     ?     ?  
165  1  4  D    .  HOH  A  183  .  ?        ?     ?     ?     ?  
166  1  4  D    .  HOH  A  184  .  ?        ?     ?     ?     ?  
167  1  4  D    .  HOH  A  185  .  ?        ?     ?     ?     ?  
168  1  4  D    .  HOH  A  186  .  ?        ?     ?     ?     ?  
169  1  4  D    .  HOH  A  187  .  ?        ?     ?     ?     ?  
170  1  4  D    .  HOH  A  188  .  ?        ?     ?     ?     ?  
171  1  4  D    .  HOH  A  189  .  ?        ?     ?     ?     ?  
172  1  4  D    .  HOH  A  190  .  ?        ?     ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  mt            ?       ?  ?           ?    10  33.730     8  1.09    11  0.54  molprobity  1.000  
  2    2  m-70     -135.0   143.5  Favored     ?     7  39.830    11  0.26    15  0.24  molprobity  0.850  
  3    3  mttt      -90.1   135.2  Favored     ?    13  37.960     9  0.40    11  0.57  molprobity  1.000  
  4    4  mt-10    -123.3   151.2  Favored     ?     6  32.340     9  0.63    13  0.46  molprobity  1.000  
  5    5  Cg_endo   -76.4   155.9  Favored     ?     7  32.960     8  0.81    11  0.37  molprobity  1.000  
  6    6  ?        -164.6   163.5  Favored     ?     5  27.810     5  1.04     7  0.66  molprobity  1.000  
  7    7  m        -126.9   142.0  Favored     ?     7  31.090     7  0.41    10  0.71  molprobity  1.000  
  8    8  tp        -62.1   131.7  Favored     ?    11  30.310     8  0.59    11  0.46  molprobity  1.000  
  9    9  mt        -98.6   -54.2  Favored     ?    11  30.650     8  0.42    11  0.54  molprobity  1.000  
 10   10  OUTLIER  -160.6   143.7  Favored     ?    13  35.360     9  0.59    11  0.75  molprobity  0.833  
 11   11  ?         -72.1   143.4  Favored     ?     5  34.150     5  0.58     7  0.77  molprobity  1.000  
 12   12  mt       -115.9   -61.3  Favored     ?    11  29.540     8  0.66    11  0.66  molprobity  1.000  
 13   13  p-10     -151.5  -154.3  Allowed     ?     4  30.570     8  0.46    11  1.15  molprobity  1.000  
 14   14  ?         -62.1   -36.6  Favored     ?     3  22.940     4  0.60     5  0.57  molprobity  1.000  
 15   15  p30      -126.7    15.1  Favored     ?     4  22.370     8  0.57    11  0.59  molprobity  1.000  
 16   16  p        -134.0   137.0  Favored     ?     7  22.560     7  0.68    10  0.78  molprobity  1.000  
 17   17  p        -134.0   137.0  Favored     ?     7  22.560     7  0.68    10  0.78  molprobity  1.000  
 18   18  m        -140.2   143.8  Favored     ?     9  24.440     7  0.86    10  0.84  molprobity  1.000  
 19   19  ttmt      -96.3   124.2  Favored     ?    13  26.710     9  0.29    11  0.47  molprobity  0.833  
 20   20  mt       -127.2   152.4  Favored     ?    11  23.420     8  0.89    11  0.82  molprobity  1.000  
 21   21  mmm       -89.7   120.8  Favored     ?     9  28.260     8  1.07    10  1.74  molprobity  0.887  
 22   22  t80      -131.9   123.3  Favored     ?     9  29.130    13  0.63    18  0.62  molprobity  1.000  
 23   23  mttt       50.7    35.1  Favored     ?    13  31.740     9  0.50    11  0.52  molprobity  0.833  
 24   24  ?          76.5    12.2  Favored     ?     3  29.100     4  0.53     5  0.88  molprobity  1.000  
 25   25  mm100    -120.6   141.0  Favored     1     8  27.630     9  0.58    13  0.68  molprobity  1.000  
 26   26  Cg_endo   -73.4   139.0  Favored     ?     7  30.120     8  0.49    11  0.79  molprobity  1.000  
 27   27  ptm      -150.7   150.2  Favored     ?     9  30.660     8  0.67    10  1.14  molprobity  0.887  
 28   28  m         -84.1   121.1  Favored     ?     7  26.310     7  0.34    10  0.58  molprobity  1.000  
 29   29  m-85     -101.4   132.9  Favored     ?     9  22.330    12  0.61    16  0.50  molprobity  1.000  
 30   30  tpt85    -104.8   128.4  Favored     ?    13  19.360    11  0.88    14  1.11  molprobity  1.000  
 31   31  OUTLIER   -67.2   125.4  Favored     ?    11  21.410     8  1.01    11  1.03  molprobity  1.000  
 32   32  mt        -62.1   145.2  Favored     ?    11  18.280     8  0.58    11  1.49  molprobity  1.000  
 33   33  mt         72.7     7.8  Favored     ?    11  19.620     8  0.54    11  0.81  molprobity  1.000  
 34   34  m        -129.0   162.9  Favored     ?     9  18.730     7  0.61    10  0.88  molprobity  1.000  
 35   35  t0       -144.0   115.0  Favored     ?     4  28.580     8  0.60    11  0.72  molprobity  1.000  
 36   36  p         -90.8   159.5  Favored     ?     7  25.050     7  0.54    11  0.48  molprobity  1.000  
 37   37  Cg_exo    -64.4   150.1  Favored     ?     7  30.980     8  0.49    11  0.52  molprobity  1.000  
 38   38  mm-40     -68.1   157.4  Favored     ?     6  46.960     9  0.50    12  0.50  molprobity  0.867  
 39   39  t80       -52.9   -37.9  Favored     ?     9  55.430    12  0.55    16  0.36  molprobity  1.000  
 40   40  p-10      -77.7    -8.4  Favored     ?     6  54.700     8  0.48    11  0.49  molprobity  0.887  
 41   41  mt-10     -96.0   161.5  Favored     ?     6  48.220     9  0.27    12  0.42  molprobity  0.900  
 42   42  tttm      -54.2   132.1  Favored     ?    13  44.150     9  0.31    11  0.29  molprobity  0.778  
 43   43  m-85       70.3    -3.0  Allowed     ?     9  39.960    13  0.47    18  0.68  molprobity  1.000  
 44   44  ?         -57.4   -54.0  Favored     ?     3  31.240     4  0.56     6  0.42  molprobity  1.000  
 45   45  Cg_exo    -59.4   -39.9  Favored     ?     7  34.530     8  0.39    11  0.48  molprobity  1.000  
 46   46  mp0       -68.7   -34.8  Favored     ?     6  33.980     9  0.79    12  0.67  molprobity  1.000  
 47   47  ?         -67.1   -41.9  Favored     ?     5  26.690     5  0.76     7  0.36  molprobity  1.000  
 48   48  m         -60.3   -47.1  Favored     ?     5  27.370     6  0.46     8  0.82  molprobity  1.000  
 49   49  ?         -64.7   -37.8  Favored     ?     5  28.410     5  0.76     7  0.32  molprobity  1.000  
 50   50  t80       -62.1   -52.6  Favored     ?     9  29.580    12  0.92    16  0.47  molprobity  1.000  
 51   51  m         -64.5   -36.5  Favored     ?     7  23.230     7  0.76    10  0.46  molprobity  1.000  
 52   52  tttp      -64.7   -45.1  Favored     ?    13  35.510     9  0.51    11  0.59  molprobity  1.000  
 53   53  tttt      -71.5   -44.1  Favored     ?    13  33.360     9  0.38    11  0.41  molprobity  0.778  
 54   54  ttt       -54.4   -52.3  Favored     ?     9  30.220     8  0.37    10  0.60  molprobity  1.000  
 55   55  ?         -65.4   -45.1  Favored     ?     5  30.970     5  0.38     7  0.47  molprobity  1.000  
 56   56  mt-10     -73.1   -28.8  Favored     ?     6  40.180     9  0.50    12  0.51  molprobity  1.000  
 57   57  m-20      -81.1   -17.0  Favored     ?     6  45.160     8  0.39    11  0.19  molprobity  1.000  
 58   58  ?         -72.5   134.6  Favored     ?     5  35.800     5  0.26     7  0.30  molprobity  1.000  
 59   59  ttpt      -71.7   -29.5  Favored     ?    13  41.750     9  0.50    11  0.47  molprobity  0.778  
 60   60  OUTLIER  -147.8   121.9  Favored     ?    13  40.210     9  0.44    11  0.68  molprobity  1.000  
 61   61  mm       -105.4   136.0  Favored     ?    11  26.560     8  0.49    11  1.09  molprobity  1.000  
 62   62  mt-10    -127.2   149.9  Favored     ?     6  29.610     9  0.83    12  0.62  molprobity  1.000  
 63   63  t        -115.1   138.8  Favored     ?     9  23.350     7  0.51    10  0.60  molprobity  1.000  
 64   64  t        -115.1   138.8  Favored     ?     9  23.350     7  0.51    10  0.60  molprobity  1.000  
 65   65  tt0      -130.5   112.0  Favored     ?     6  28.700     9  0.67    12  0.77  molprobity  1.000  
 66   66  m-85      -77.8   154.0  Favored     ?     9  26.890    12  0.90    16  0.35  molprobity  1.000  
 67   67  t0        -89.9  -164.3  Allowed     ?     4  28.040     8  0.72    11  0.66  molprobity  1.000  
 68   68  OUTLIER   -80.9   -14.3  Favored     ?    13  36.480     9  0.60    11  0.48  molprobity  0.833  
 69   69  ?        -110.4  -139.5  Favored     ?     3  33.630     4  0.36     5  0.51  molprobity  1.000  
 70   70  OUTLIER   -66.8   135.1  Favored     ?     8  32.300     9  0.55    12  0.74  molprobity  0.833  
 71   71  mtt180    -97.7   -12.8  Favored     ?    13  33.680    11  0.43    14  0.71  molprobity  1.000  
 72   72  p        -129.1   145.0  Favored     ?     7  32.890     7  0.34    10  0.88  molprobity  1.000  
 73   73  p30       -90.8  -176.3  Favored     ?     4  25.050     8  0.88    11  0.60  molprobity  1.000  
 74   74  pttt      -68.8   -12.9  Favored     ?    13  33.940     9  0.48    11  0.45  molprobity  1.000  
 75   75  m-85      -98.7     6.7  Favored     ?     9  29.910    13  0.61    18  0.37  molprobity  1.000  
 76   76  ?          79.0     9.7  Favored     ?     3  26.810     4  0.63     5  0.22  molprobity  1.000  
 77   77  mtm180    -78.0   139.0  Favored     ?    13  22.150    11  0.48    14  0.78  molprobity  1.000  
 78   78  ?         -62.2   141.7  Favored     ?     3  22.770     4  0.85     5  0.97  molprobity  1.000  
 79   79  mt       -113.3   114.0  Favored     ?    11  21.980     8  0.38    11  0.66  molprobity  1.000  
 80   80  ?        -150.3   164.9  Favored     ?     5  20.860     5  0.65     7  0.65  molprobity  1.000  
 81   81  m-85      -87.0   130.8  Favored     ?     9  21.390    13  0.45    18  0.56  molprobity  1.000  
 82   82  mm       -110.2   135.9  Favored     ?    11  21.290     8  0.53    11  0.76  molprobity  1.000  
 83   83  m-85     -118.4   136.0  Favored     ?     9  26.050    13  0.62    18  0.50  molprobity  1.000  
 84   84  ?        -118.5   112.5  Favored     ?     5  27.910     5  0.49     7  0.58  molprobity  1.000  
 85   85  m-20       41.0    59.2  Favored     ?     4  35.100     8  0.28    11  0.48  molprobity  1.000  
 86   86  ?          77.5   -10.3  Favored     ?     3  33.390     4  0.48     5  1.06  molprobity  1.000  
 87   87  mttm      -99.2   127.1  Favored     ?    13  30.340     9  0.55    11  0.56  molprobity  0.778  
 88   88  ttm       -72.3   119.5  Favored     ?     9  24.490     8  0.56    10  0.61  molprobity  1.000  
 89   89  t         -60.6   -41.2  Favored     ?     9  21.850     7  0.72    10  0.49  molprobity  1.000  
 90   90  m120      -57.6   -46.6  Favored     ?     6  20.290     8  0.59    11  0.55  molprobity  1.000  
 91   91  tt0       -70.2   -42.2  Favored     ?     6  28.020     9  0.51    12  0.43  molprobity  1.000  
 92   92  ?         -58.0   -47.2  Favored     ?     5  24.580     5  0.29     7  0.54  molprobity  1.000  
 93   93  mt        -55.6   -48.5  Favored     ?    11  22.670     8  0.50    11  0.81  molprobity  1.000  
 94   94  t         -61.0   -43.7  Favored     ?     9  22.090     7  1.20    10  0.83  molprobity  1.000  
 95   95  tpt85     -64.4   -27.9  Favored     ?    13  30.100    11  0.41    14  0.56  molprobity  1.000  
 96   96  mm100     -89.9     6.6  Favored     ?     8  36.360     9  0.38    12  0.73  molprobity  1.000  
 97   97  ?          60.9    34.5  Favored     ?     3  26.820     4  0.39     5  0.26  molprobity  1.000  
 98   98  mt       -110.7    -0.8  Favored     ?    11  24.320     8  0.67    11  0.66  molprobity  1.000  
 99   99  ?        -147.7   153.8  Favored     ?     5  22.920     5  0.77     7  0.49  molprobity  1.000  
100  100  mttt     -103.6   152.8  Favored     ?    13  26.270     9  0.54    11  0.83  molprobity  0.833  
101  101  t         -66.8   137.2  Favored     ?     9  22.050     7  0.99    10  0.43  molprobity  1.000  
102  102  ?        -172.4   157.9  Favored     ?     5  22.940     5  1.28     7  0.25  molprobity  1.000  
103  103  m-85       56.0    48.0  Favored     ?     9  24.650    13  1.11    18  0.70  molprobity  1.000  
104  104  t         -90.0   101.0  Favored     ?     9  26.540     7  0.40    10  0.49  molprobity  1.000  
105  105  m-85     -105.4   145.2  Favored     ?     9  38.420    13  0.58    18  0.50  molprobity  1.000  
106  106  tttt      -54.1   139.4  Favored     ?    13  41.310     9  0.42    11  0.42  molprobity  0.778  
107  107  ?          87.0   -16.8  Favored     ?     3  40.590     4  0.26     5  0.47  molprobity  1.000  
108  108  m-20     -123.3    58.5  Allowed     ?     6  33.150     8  0.45    11  0.75  molprobity  1.000  
109  109  OUTLIER  -134.4    27.9  Favored     1     6  33.320     8  0.44    11  0.42  molprobity  1.000  
110  110  m         -58.7   -41.1  Favored     ?     7  28.650     7  0.68    10  0.62  molprobity  1.000  
111  111  m-70      -97.7    21.7  Favored     ?     7  26.570    11  0.44    15  0.46  molprobity  1.000  
112  112  tt0       -57.5   -54.1  Favored     ?     6  26.870     9  1.08    12  0.69  molprobity  1.000  
113  113  mm100     -64.2   -36.2  Favored     ?     8  29.020     9  0.90    12  0.64  molprobity  0.778  
114  114  tp        -57.3   -49.4  Favored     ?    11  28.590     8  0.58    11  0.67  molprobity  1.000  
115  115  mt        -66.0   -41.6  Favored     ?    11  25.790     8  0.93    11  1.10  molprobity  1.000  
116  116  mtt-85    -58.4   -40.1  Favored     ?    13  28.450    11  0.76    14  1.55  molprobity  1.000  
117  117  tptm      -60.3   -44.4  Favored     ?    13  30.710     9  0.70    11  0.70  molprobity  0.900  
118  118  ?         -66.3   -40.2  Favored     ?     5  26.020     5  1.05     7  0.68  molprobity  1.000  
119  119  tt0       -62.1   -41.5  Favored     ?     6  32.120     9  0.66    12  0.43  molprobity  1.000  
120  120  ?         -54.3   -44.6  Favored     ?     5  32.660     5  0.46     7  0.33  molprobity  1.000  
121  121  mm100     -71.3   -39.1  Favored     ?     8  37.350     9  0.55    12  0.69  molprobity  0.867  
122  122  ?         -61.0   -39.9  Favored     ?     5  29.810     5  1.16     7  0.58  molprobity  1.000  
123  123  ttmt      -69.2   -45.7  Favored     ?    13  35.390     9  0.45    11  0.46  molprobity  0.778  
124  124  OUTLIER   -56.0   -34.0  Favored     ?    13  43.730     9  0.51    11  0.43  molprobity  0.778  
125  125  mt-10     -88.2    -2.4  Favored     ?     6  47.470     9  0.30    12  0.39  molprobity  1.000  
126  126  mptt       58.2    40.0  Favored     ?    13  44.810     9  0.35    11  0.25  molprobity  0.778  
127  127  mt        -86.8   128.6  Favored     ?    11  39.320     8  0.39    11  1.60  molprobity  1.000  
128  128  m-20       52.1  -105.5  Allowed     ?     6  37.390     8  0.48    11  0.38  molprobity  1.000  
129  129  mt        -53.9   -34.7  Favored     ?    11  37.300     8  0.33    11  0.50  molprobity  1.000  
130  130  m95       -85.4     8.9  Favored     ?    10  36.630    16  0.43    23  0.41  molprobity  1.000  
131  131  p             ?       ?  ?           ?     5  48.580     5  0.38     5  0.60  molprobity  1.000  
132  132  ?             ?       ?  ?           ?    12  27.140    26  1.06    39  2.04  mogul       1.000  
133  133  ?             ?       ?  ?           ?     ?  34.800     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?     ?  38.330     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?     ?  22.110     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?     ?  24.380     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?     ?  29.790     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?     ?  28.080     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?  26.220     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?  27.590     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?  29.950     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  29.110     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?  27.760     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?  23.300     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?  30.510     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?  31.300     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?  34.020     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?  35.500     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?  28.070     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?  29.730     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?  25.260     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?  29.280     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  36.790     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?  38.110     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?  43.640     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?  31.050     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?  40.350     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?  34.740     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  40.810     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  44.470     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  41.180     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  39.800     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?  27.940     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  37.540     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  38.940     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  29.090     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  39.750     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  30.960     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  42.530     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  36.130     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  41.170     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  37.210     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    9  HD11   1  0.97  1.45  
 2    9  HD11   2  0.70  2.22  
 3   11  HB1    3  0.43  2.18  
 4   12  HD12   4  0.44  2.00  
 5   15  HA     5  0.40  2.03  
 6   17  HG23   6  0.44  1.99  
 7   17  HG22   4  0.44  2.00  
 8   21  HG2    1  0.97  1.45  
 9   21  CG     2  0.70  2.22  
10   27  HG3    7  0.60  2.36  
11   28  HG23   6  0.44  1.99  
12   29  CE1    7  0.60  2.36  
13   31  HD22   5  0.40  2.03  
14   58  HB2    8  0.55  1.89  
15   63  HG22   9  0.42  2.01  
16   64  HG12  10  0.42  2.01  
17   82  HD12  10  0.42  2.01  
18   82  HD12   9  0.42  2.01  
19   84  HB1    8  0.55  1.89  
20   91  HA    11  0.43  2.01  
21   96  HG2   12  0.47  2.13  
22  109  HD22  13  0.53  1.56  
23  109  HD22  14  0.44  2.13  
24  109  H     13  0.53  1.56  
25  109  N     14  0.44  2.13  
26  115  HD22  11  0.43  2.01  
27  134  O     12  0.47  2.13  
28  155  O      3  0.43  2.18  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  132  P1  O3P  1.62  1.54   448  0.04   2.02  0.00  
2  132  C4  N3   1.34  1.38  3597  0.02  -2.31  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
 1  132  O2P    P1     "O3'"  116.48  105.99    46  4.48   2.34  5.09  
 2  132  "C2'"  "C1'"  N1     106.61  113.77   663  2.30  -3.11  0.00  
 3  132  O2     C2     N1     119.49  122.79   963  1.33  -2.48  0.15  
 4  132  N3     C2     N1     121.88  114.89   961  1.33   5.26  1.38  
 5  132  C4     N3     C2     120.37  127.35  1185  1.30  -5.39  0.20  
 6  132  O4     C4     N3     116.23  120.12  3599  1.92  -2.03  0.02  
 7  132  C5     C4     N3     119.03  115.31   629  0.85   4.36  0.17  
 8  132  C5M    C5     C4     122.43  118.77   632  1.10   3.33  0.33  
 9  132  C5M    C5     C6     118.77  122.85   855  1.34  -3.06  0.03  
10  132  C5     C6     N1     120.20  123.34   431  1.03  -3.05  0.13  
#
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal        1
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id    132
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1         "C3'"
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2         "O3'"
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3         P1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4         O3P
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval         81.21
_pdbx_vrpt_instance_mogul_torsion_outliers.mean           47.34
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs         46
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev          25.95
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff        10.26
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density  0.00
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   8  0.948  0.079  -0.743  
  2    2  10  0.947  0.152   0.742  
  3    3   9  0.949  0.113  -0.482  
  4    4   9  0.888  0.114  -0.386  
  5    5   7  0.956  0.080  -0.474  
  6    6   5  0.979  0.080  -0.448  
  7    7   7  0.960  0.095  -0.205  
  8    8   8  0.973  0.089  -0.519  
  9    9   8  0.950  0.104  -0.183  
 10   10   9  0.973  0.121  -0.365  
 11   11   5  0.942  0.114   0.244  
 12   12   8  0.946  0.102  -0.228  
 13   13   8  0.959  0.080  -0.620  
 14   14   4  0.965  0.081  -0.377  
 15   15   8  0.977  0.073  -0.732  
 16   16  11  0.960  0.128   0.440  
 17   17  11  0.960  0.128   0.440  
 18   18   7  0.977  0.116   0.173  
 19   19   9  0.968  0.110  -0.525  
 20   20   8  0.959  0.117   0.107  
 21   21   8  0.954  0.127   0.362  
 22   22  12  0.957  0.101  -0.044  
 23   23   9  0.967  0.106  -0.584  
 24   24   4  0.976  0.056  -0.823  
 25   25   9  0.977  0.076  -0.815  
 26   26   7  0.968  0.082  -0.436  
 27   27   8  0.931  0.120   0.224  
 28   28   7  0.960  0.107   0.029  
 29   29  11  0.983  0.074  -0.722  
 30   30  11  0.980  0.093  -0.598  
 31   31   8  0.974  0.106  -0.139  
 32   32   8  0.981  0.098  -0.318  
 33   33   8  0.974  0.106  -0.139  
 34   34   7  0.969  0.105  -0.071  
 35   35   8  0.960  0.088  -0.493  
 36   36   7  0.967  0.086  -0.382  
 37   37   7  0.976  0.068  -0.699  
 38   38   9  0.917  0.148   0.095  
 39   39  11  0.909  0.133   0.647  
 40   40   8  0.907  0.204   1.478  
 41   41   9  0.894  0.181   0.561  
 42   42   9  0.962  0.198   0.755  
 43   43  12  0.904  0.122   0.438  
 44   44   4  0.973  0.120   0.320  
 45   45   7  0.969  0.124   0.350  
 46   46   9  0.965  0.152   0.151  
 47   47   5  0.956  0.087  -0.305  
 48   48   6  0.960  0.103  -0.109  
 49   49   5  0.987  0.086  -0.326  
 50   50  11  0.963  0.077  -0.652  
 51   51   7  0.965  0.083  -0.440  
 52   52   9  0.940  0.148   0.028  
 53   53   9  0.962  0.088  -0.846  
 54   54   8  0.973  0.068  -0.806  
 55   55   5  0.961  0.089  -0.265  
 56   56   9  0.903  0.111  -0.428  
 57   57   8  0.960  0.125   0.171  
 58   58   5  0.976  0.061  -0.835  
 59   59   9  0.968  0.159   0.188  
 60   60   9  0.975  0.092  -0.787  
 61   61   8  0.971  0.106  -0.137  
 62   62   9  0.923  0.114  -0.386  
 63   63  11  0.959  0.100  -0.182  
 64   64  11  0.959  0.100  -0.182  
 65   65   9  0.977  0.063  -1.106  
 66   66  11  0.960  0.083  -0.513  
 67   67   8  0.962  0.090  -0.461  
 68   68   9  0.918  0.206   0.872  
 69   69   4  0.963  0.111   0.159  
 70   70   9  0.918  0.181   0.815  
 71   71  11  0.951  0.097  -0.536  
 72   72   7  0.958  0.123   0.342  
 73   73   8  0.978  0.071  -0.764  
 74   74   9  0.954  0.075  -1.035  
 75   75  12  0.967  0.097  -0.135  
 76   76   4  0.961  0.081  -0.377  
 77   77  11  0.977  0.100  -0.489  
 78   78   4  0.981  0.061  -0.734  
 79   79   8  0.966  0.100  -0.273  
 80   80   5  0.977  0.070  -0.652  
 81   81  12  0.971  0.088  -0.342  
 82   82   8  0.963  0.123   0.251  
 83   83  12  0.961  0.096  -0.158  
 84   84   5  0.966  0.097  -0.102  
 85   85   8  0.956  0.077  -0.668  
 86   86   4  0.970  0.072  -0.537  
 87   87   9  0.975  0.125  -0.307  
 88   88   8  0.985  0.096  -0.251  
 89   89   7  0.963  0.098  -0.227  
 90   90   8  0.977  0.095  -0.326  
 91   91   9  0.939  0.134  -0.103  
 92   92   5  0.970  0.127   0.509  
 93   93   8  0.966  0.108  -0.094  
 94   94   7  0.965  0.095  -0.293  
 95   95  11  0.958  0.096  -0.551  
 96   96   9  0.948  0.100  -0.443  
 97   97   4  0.963  0.077  -0.448  
 98   98   8  0.978  0.058  -1.213  
 99   99   5  0.979  0.090  -0.244  
100  100   9  0.985  0.097  -0.715  
101  101   7  0.967  0.105  -0.071  
102  102   5  0.980  0.087  -0.305  
103  103  12  0.968  0.081  -0.502  
104  104   7  0.979  0.068  -0.893  
105  105  12  0.940  0.095  -0.181  
106  106   9  0.944  0.224   1.134  
107  107   4  0.951  0.111   0.159  
108  108   8  0.957  0.072  -0.707  
109  109   8  0.964  0.089  -0.425  
110  110   7  0.953  0.100  -0.108  
111  111  10  0.967  0.082  -0.486  
112  112   9  0.943  0.085  -0.795  
113  113   9  0.957  0.122  -0.101  
114  114   8  0.975  0.106  -0.139  
115  115   8  0.961  0.099  -0.295  
116  116  11  0.960  0.086  -0.706  
117  117   9  0.957  0.126  -0.293  
118  118   5  0.975  0.102   0.000  
119  119   9  0.953  0.099  -0.597  
120  120   5  0.961  0.096  -0.122  
121  121   9  0.946  0.115  -0.210  
122  122   5  0.986  0.055  -0.957  
123  123   9  0.957  0.095  -0.744  
124  124   9  0.889  0.203   0.828  
125  125   9  0.952  0.119  -0.315  
126  126   9  0.945  0.180   0.493  
127  127   8  0.956  0.121   0.197  
128  128   8  0.955  0.114  -0.012  
129  129   8  0.936  0.161   1.119  
130  130  14  0.941  0.118   0.459  
131  131   6  0.898  0.137   0.500  
132  132  25  0.977  0.094       ?  
133  133   1  0.977  0.053       ?  
134  134   1  0.949  0.151       ?  
135  135   1  0.972  0.091       ?  
136  136   1  0.992  0.092       ?  
137  137   1  0.982  0.047       ?  
138  138   1  0.989  0.068       ?  
139  139   1  0.985  0.085       ?  
140  140   1  0.983  0.078       ?  
141  141   1  0.959  0.121       ?  
142  142   1  0.936  0.086       ?  
143  143   1  0.973  0.159       ?  
144  144   1  0.981  0.080       ?  
145  145   1  0.972  0.090       ?  
146  146   1  0.970  0.286       ?  
147  147   1  0.973  0.266       ?  
148  148   1  0.955  0.224       ?  
149  149   1  0.964  0.238       ?  
150  150   1  0.943  0.091       ?  
151  151   1  0.970  0.065       ?  
152  152   1  0.967  0.100       ?  
153  153   1  0.916  0.128       ?  
154  154   1  0.835  0.110       ?  
155  155   1  0.943  0.262       ?  
156  156   1  0.943  0.108       ?  
157  157   1  0.965  0.121       ?  
158  158   1  0.945  0.096       ?  
159  159   1  0.963  0.142       ?  
160  160   1  0.750  0.317       ?  
161  161   1  0.876  0.180       ?  
162  162   1  0.917  0.246       ?  
163  163   1  0.979  0.161       ?  
164  164   1  0.939  0.103       ?  
165  165   1  0.924  0.149       ?  
166  166   1  0.923  0.098       ?  
167  167   1  0.931  0.110       ?  
168  168   1  0.969  0.241       ?  
169  169   1  0.697  0.254       ?  
170  170   1  0.922  0.156       ?  
171  171   1  0.851  0.247       ?  
172  172   1  0.890  0.099       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
